![2-Benzo[1,3]dioxol-5-YL-5-methyl-3H-imidazole-4-carboxylic acid ethyl ester structure](/static/products/902/902600-32-2.png)
2-Benzo[1,3]dioxol-5-YL-5-methyl-3H-imidazole-4-carboxylic acid ethyl ester
TL;DR: 2-Benzo[1,3]dioxol-5-YL-5-methyl-3H-imidazole-4-carboxylic acid ethyl ester (CAS 902600-32-2) is a chemical compound with molecular formula C14H14N2O4 and molecular weight 274.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(1,3-benzodioxol-5-yl)-5-methyl-1H-imidazole-4-carboxylate
Also Known As: ChemDiv2_003099, 2-BENZO[1,3]DIOXOL-5-YL-5-METHYL-3H-IMIDAZOLE-4-CARBOXYLIC ACID ETHYL ESTER, ethyl 2-(1,3-benzodioxol-5-yl)-5-methyl-1H-imidazole-4-carboxylate, Ethyl 2-(benzo[d][1,3]dioxol-5-yl)-4-methyl-1H-imidazole-5-carboxylate, 2-BENZO[1,3]DIOXOL-5-YL-5-METHYL-3H-IMIDAZOLE-4-CA
| Molecular Formula | C14H14N2O4 |
|---|---|
| Molecular Weight | 274.10 g/mol |
| LogP | 2.29052 |
| Topological Polar Surface Area | 73.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.09537 |
| Heavy Atoms | 20 |
| Complexity | 663.18866 |
Chemical Identifiers
| CAS Number | 902600-32-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=N1)C2=CC3=C(C=C2)OCO3)C |
Product Overview
2-Benzo[1,3]dioxol-5-YL-5-methyl-3H-imidazole-4-carboxylic acid ethyl ester (CAS 902600-32-2), with molecular formula C14H14N2O4 and molecular weight 274.10 g/mol. IUPAC: ethyl 2-(1,3-benzodioxol-5-yl)-5-methyl-1H-imidazole-4-carboxylate.
Chemical Property Profile of 2-Benzo[1,3]dioxol-5-YL-5-methyl-3H-imidazole-4-carboxylic acid ethyl ester
Property Insights of 2-Benzo[1,3]dioxol-5-YL-5-methyl-3H-imidazole-4-carboxylic acid ethyl ester
The XLogP value of 2.29052 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzo[1,3]dioxol-5-YL-5-methyl-3H-imidazole-4-carboxylic acid ethyl ester. The TPSA of 73.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Benzo[1,3]dioxol-5-YL-5-methyl-3H-imidazole-4-carboxylic acid ethyl ester. Following Lipinski's Rule of Five, 2-Benzo[1,3]dioxol-5-YL-5-methyl-3H-imidazole-4-carboxylic acid ethyl ester has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Benzo[1,3]dioxol-5-YL-5-methyl-3H-imidazole-4-carboxylic acid ethyl ester?
The CAS number of 2-Benzo[1,3]dioxol-5-YL-5-methyl-3H-imidazole-4-carboxylic acid ethyl ester is 902600-32-2.
What is the molecular formula of 2-Benzo[1,3]dioxol-5-YL-5-methyl-3H-imidazole-4-carboxylic acid ethyl ester?
The molecular formula of 2-Benzo[1,3]dioxol-5-YL-5-methyl-3H-imidazole-4-carboxylic acid ethyl ester is C14H14N2O4.
What is the molecular weight of 2-Benzo[1,3]dioxol-5-YL-5-methyl-3H-imidazole-4-carboxylic acid ethyl ester?
The molecular weight of 2-Benzo[1,3]dioxol-5-YL-5-methyl-3H-imidazole-4-carboxylic acid ethyl ester is 274.10 g/mol.
Where can I buy 2-Benzo[1,3]dioxol-5-YL-5-methyl-3H-imidazole-4-carboxylic acid ethyl ester?
You can request a quote for 2-Benzo[1,3]dioxol-5-YL-5-methyl-3H-imidazole-4-carboxylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzo[1,3]dioxol-5-YL-5-methyl-3H-imidazole-4-carboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzo[1,3]dioxol-5-YL-5-methyl-3H-imidazole-4-carboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.